#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjd s ASP 9 N 0.00 0.60 -0.00 0.00 1.01 -1.26 -4.89 116.67 112.13 1hjd s ASP 9 Ca 0.00 -2.40 -0.02 0.00 0.71 0.00 0.00 52.55 50.84 1hjd s ASP 9 Cb 0.00 0.40 -0.00 0.00 1.01 0.00 0.00 42.92 44.33 1hjd s ASP 9 CO 0.00 -0.16 0.03 -0.13 0.21 0.00 0.00 175.17 175.13 1hjd s ARG 10 N 0.56 0.20 -0.02 8.23 3.00 -1.26 -0.21 118.95 129.45 1hjd s ARG 10 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 55.73 55.73 1hjd s ARG 10 Cb -0.01 0.08 0.01 0.00 0.00 0.00 0.00 34.95 35.02 1hjd s ARG 10 CO -0.12 -0.04 0.12 0.21 0.00 0.00 0.00 175.30 175.48 1hjd s LYS 11 N -0.68 0.30 0.11 3.54 2.20 -0.22 -3.16 119.74 121.83 1hjd s LYS 11 Ca -0.08 -0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.23 1hjd s LYS 11 Cb -0.05 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1hjd s LYS 11 CO -0.00 -0.06 0.61 -0.51 -0.36 0.00 0.00 175.35 175.03 1hjd s LEU 12 N -0.63 4.50 0.18 5.43 1.02 -1.19 0.18 118.68 128.17 1hjd s LEU 12 Ca -0.07 1.32 0.07 0.00 0.02 0.00 0.00 54.13 55.47 1hjd s LEU 12 Cb -0.04 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.05 1hjd s LEU 12 CO 0.01 0.22 -0.14 0.00 0.02 0.00 0.00 176.35 176.46 1hjd n ALA 14 N -0.17 4.80 -1.02 0.00 0.00 -1.25 -0.04 120.51 122.84 1hjd n ALA 14 Ca -0.10 -2.35 0.11 0.00 0.00 0.00 0.00 53.44 51.10 1hjd n ALA 14 Cb 0.60 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.89 1hjd n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hjd n ASP 15 N 4.63 -6.04 0.21 0.00 9.92 -1.26 -1.07 116.55 122.94 1hjd n ASP 15 Ca 0.48 0.87 0.18 0.00 -0.53 0.00 0.00 54.79 55.79 1hjd n ASP 15 Cb 0.18 -2.44 0.83 0.00 -0.64 0.00 0.00 41.12 39.05 1hjd n ASP 15 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1hjd h GLN 16 N 0.00 0.00 0.31 -1.24 3.07 -1.97 -2.18 115.11 113.10 1hjd h GLN 16 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 1hjd h GLN 16 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1hjd h GLN 16 CO 0.01 0.00 -0.15 0.93 0.09 0.00 0.00 178.83 179.71 1hjd h GLU 17 N 0.00 -0.40 -2.42 0.06 5.08 -1.97 -3.46 114.58 111.46 1hjd h GLU 17 Ca 0.09 0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.13 1hjd h GLU 17 Cb 0.69 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 1hjd h GLU 17 CO -0.00 -0.07 -0.40 0.00 -1.00 0.00 0.00 179.01 177.54 1hjd n SER 19 N -1.55 0.00 -4.69 0.00 7.64 -1.26 -4.87 113.62 108.89 1hjd n SER 19 Ca -0.20 0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.43 1hjd n SER 19 Cb 0.63 -0.12 0.08 0.00 -1.01 0.00 0.00 64.21 63.79 1hjd n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1hjd n HIS 20 N -1.02 1.50 -1.45 1.43 8.25 -1.26 -5.00 115.22 117.67 1hjd n HIS 20 Ca 0.00 0.41 -0.30 0.00 -0.26 0.00 0.00 57.72 57.57 1hjd n HIS 20 Cb 0.00 -2.19 0.21 0.00 1.12 0.00 0.00 29.99 29.13 1hjd n HIS 20 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1hjd s PRO 21 N -3.48 -0.39 -0.04 -0.41 0.04 -1.26 -4.79 135.00 124.66 1hjd s PRO 21 Ca 0.79 -0.20 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1hjd s PRO 21 Cb -0.36 -1.71 -0.31 0.00 0.04 0.00 0.00 34.50 32.17 1hjd s PRO 21 CO 0.45 -3.14 0.91 0.97 0.04 0.00 0.00 177.00 176.23 1hjd h ILE 22 N -2.16 1.51 -0.84 0.56 6.09 0.96 -3.39 117.51 120.23 1hjd h ILE 22 Ca -0.45 -2.52 0.00 0.00 -1.37 0.00 0.00 64.86 60.53 1hjd h ILE 22 Cb 1.27 3.17 0.00 0.00 0.47 0.00 0.00 36.82 41.73 1hjd h ILE 22 CO 0.37 0.71 0.00 -1.54 -3.07 0.00 0.00 178.15 174.62 1hjd n SER 23 N -4.12 0.00 -4.30 2.19 3.41 -0.93 -0.09 113.62 109.78 1hjd n SER 23 Ca -0.14 -0.81 -0.31 0.00 -0.26 0.00 0.00 58.87 57.34 1hjd n SER 23 Cb 0.82 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 1hjd n SER 23 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1hjd s MET 24 N -1.44 2.37 -0.12 4.33 1.75 0.22 -2.15 119.30 124.25 1hjd s MET 24 Ca 0.00 -0.90 -0.07 0.00 -1.25 0.00 0.00 55.69 53.47 1hjd s MET 24 Cb 0.00 -2.13 0.04 0.00 2.84 0.00 0.00 34.83 35.58 1hjd s MET 24 CO 0.00 0.47 0.29 0.00 -0.65 0.00 0.00 175.02 175.13 1hjd s ALA 25 N -0.38 -0.71 0.10 4.11 0.00 0.23 -1.69 121.76 123.43 1hjd s ALA 25 Ca 0.03 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1hjd s ALA 25 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1hjd s ALA 25 CO 0.01 -0.19 0.26 0.08 0.00 0.00 0.00 175.76 175.92 1hjd s VAL 26 N 0.96 5.34 0.01 0.00 1.01 -0.55 0.13 120.40 127.30 1hjd s VAL 26 Ca -0.07 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1hjd s VAL 26 Cb -0.07 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1hjd s VAL 26 CO -0.07 0.04 1.61 0.00 0.00 0.00 0.00 175.10 176.67 1hjd s ALA 27 N -1.62 3.64 -2.13 5.51 0.00 0.24 0.15 121.76 127.55 1hjd s ALA 27 Ca 0.35 1.05 0.29 0.00 0.00 0.00 0.00 51.96 53.65 1hjd s ALA 27 Cb -0.12 -3.69 1.28 0.00 0.00 0.00 0.00 23.12 20.59 1hjd s ALA 27 CO 0.28 -1.17 1.88 -0.11 0.00 0.00 0.00 175.76 176.64 1hjd n LEU 28 N 6.10 0.87 0.00 0.00 -0.00 0.29 -3.69 117.00 120.55 1hjd n LEU 28 Ca 0.16 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1hjd n LEU 28 Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1hjd n LEU 28 CO 0.62 0.15 0.00 0.00 -0.00 0.00 0.00 177.39 178.16 1hjd n GLN 29 N -0.43 -1.74 -2.22 1.96 10.64 -1.24 -4.96 117.38 119.40 1hjd n GLN 29 Ca 0.19 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.98 1hjd n GLN 29 Cb 0.28 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.65 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1hjd s ASP 30 N 0.00 6.15 -0.46 2.61 2.15 -1.26 -3.97 116.67 121.90 1hjd s ASP 30 Ca 0.00 2.35 0.06 0.00 0.43 0.00 0.00 52.55 55.40 1hjd s ASP 30 Cb 0.00 -2.61 0.19 0.00 -0.30 0.00 0.00 42.92 40.20 1hjd s ASP 30 CO 0.00 -0.93 0.71 -0.47 -0.17 0.00 0.00 175.17 174.30 1hjd s TYR 31 N -1.50 -1.59 -0.90 -5.34 5.04 0.32 -4.93 117.35 108.44 1hjd s TYR 31 Ca 0.63 -0.14 -0.25 0.00 -2.44 0.00 0.00 57.07 54.87 1hjd s TYR 31 Cb -0.30 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.22 1hjd s TYR 31 CO 0.37 -1.16 2.13 -1.64 -1.34 0.00 0.00 175.55 173.90 1hjd s MET 32 N 1.38 2.09 -0.94 4.97 -1.94 -1.26 -1.54 119.30 122.06 1hjd s MET 32 Ca 0.23 -0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.90 1hjd s MET 32 Cb -0.01 -4.97 -0.25 0.00 2.01 0.00 0.00 34.83 31.60 1hjd s MET 32 CO -0.06 -3.99 2.32 0.00 -0.01 0.00 0.00 175.02 173.27 1hjd n ALA 33 N 16.18 0.60 -2.08 3.03 0.00 -1.26 -4.77 120.51 132.21 1hjd n ALA 33 Ca 0.43 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 1hjd n ALA 33 Cb 0.45 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1hjd n ALA 33 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1hjd s PRO 34 N 7.66 2.63 -0.33 0.00 0.02 -1.26 -4.26 135.00 139.47 1hjd s PRO 34 Ca 1.26 -0.09 -0.09 0.00 0.02 0.00 0.00 61.00 62.10 1hjd s PRO 34 Cb -1.02 -4.88 0.20 0.00 0.02 0.00 0.00 34.50 28.82 1hjd s PRO 34 CO 0.49 -3.14 1.11 -0.51 -0.33 0.00 0.00 177.00 174.62 1hjd s ASP 35 N 7.85 -0.21 0.00 2.53 1.11 -1.26 -5.05 116.67 121.64 1hjd s ASP 35 Ca 0.68 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 53.21 1hjd s ASP 35 Cb -0.08 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.19 1hjd s ASP 35 CO 0.05 -0.01 0.00 0.00 1.18 0.00 0.00 175.17 176.38 1hjd n ARG 37 N 0.00 0.41 -0.54 0.00 5.12 -1.26 -5.16 116.66 115.23 1hjd n ARG 37 Ca 0.00 -1.30 0.00 0.00 -1.93 0.00 0.00 57.85 54.62 1hjd n ARG 37 Cb 0.00 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1hjd n PHE 38 N 2.03 -2.46 -3.04 -1.55 3.72 -1.20 -5.03 117.46 109.93 1hjd n PHE 38 Ca 0.09 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 1hjd n PHE 38 Cb 0.64 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.15 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1hjd s LEU 39 N 0.00 5.21 0.80 4.37 2.96 -1.26 -4.89 118.68 125.88 1hjd s LEU 39 Ca 0.00 -1.54 -0.12 0.00 -0.22 0.00 0.00 54.13 52.26 1hjd s LEU 39 Cb 0.00 -2.34 0.08 0.00 0.50 0.00 0.00 46.19 44.43 1hjd s LEU 39 CO 0.00 -1.14 1.14 0.28 -1.32 0.00 0.00 176.35 175.31 1hjd s THR 40 N 2.81 2.57 -0.08 3.68 -1.32 -1.26 -4.66 115.64 117.38 1hjd s THR 40 Ca 0.18 0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.89 1hjd s THR 40 Cb -0.18 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 1hjd s THR 40 CO 0.03 -0.21 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.51 1hjd s ILE 41 N -2.51 3.53 0.10 5.08 1.01 -0.59 -4.91 121.20 122.91 1hjd s ILE 41 Ca 0.67 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.85 1hjd s ILE 41 Cb -0.23 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1hjd s ILE 41 CO 0.52 0.58 -0.16 -2.28 0.00 0.00 0.00 174.94 173.60 1hjd s HIS 42 N -0.58 1.45 0.97 3.97 2.46 -1.26 0.12 115.29 122.41 1hjd s HIS 42 Ca 0.09 -0.47 -0.15 0.00 0.47 0.00 0.00 55.06 54.99 1hjd s HIS 42 Cb -0.12 -0.79 -0.07 0.00 -0.13 0.00 0.00 32.58 31.47 1hjd s HIS 42 CO 0.02 0.13 -0.28 0.54 -2.47 0.00 0.00 174.74 172.68 1hjd n ARG 43 N 1.00 -0.11 -4.12 2.88 5.12 -1.25 -3.04 116.66 117.13 1hjd n ARG 43 Ca -0.19 -0.02 -0.28 0.00 -1.93 0.00 0.00 57.85 55.43 1hjd n ARG 43 Cb 0.55 -1.37 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 1hjd n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 44 N 2.63 -0.19 2.75 -0.13 0.00 -1.24 -4.95 105.19 104.06 1hjd n GLY 44 Ca 0.02 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1hjd n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hjd s GLN 45 N -6.95 0.71 0.67 1.61 0.74 -1.17 -4.97 119.66 110.30 1hjd s GLN 45 Ca 0.01 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 54.82 1hjd s GLN 45 Cb -0.00 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1hjd s GLN 45 CO 0.94 -0.64 1.11 0.08 -0.55 0.00 0.00 175.29 176.23 1hjd s VAL 46 N 1.83 3.26 0.08 1.34 1.01 -1.26 0.82 120.40 127.48 1hjd s VAL 46 Ca -0.01 0.57 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1hjd s VAL 46 Cb -0.17 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1hjd s VAL 46 CO -0.08 -0.38 0.30 -0.69 0.00 0.00 0.00 175.10 174.25 1hjd s VAL 47 N -2.40 0.10 -0.32 2.92 1.01 0.35 0.54 120.40 122.60 1hjd s VAL 47 Ca 0.66 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1hjd s VAL 47 Cb -0.20 -1.12 0.10 0.00 0.00 0.00 0.00 36.38 35.16 1hjd s VAL 47 CO 0.43 -0.43 0.08 -0.31 0.00 0.00 0.00 175.10 174.87 1hjd s TYR 48 N -3.28 2.36 0.10 5.22 1.51 0.34 0.78 117.35 124.38 1hjd s TYR 48 Ca 0.00 -2.14 -0.31 0.00 -1.01 0.00 0.00 57.07 53.61 1hjd s TYR 48 Cb 0.02 -2.10 -0.07 0.00 -0.11 0.00 0.00 41.96 39.70 1hjd s TYR 48 CO -0.08 -0.90 1.35 0.08 -1.11 0.00 0.00 175.55 174.89 1hjd s VAL 49 N 1.39 3.47 -0.14 0.71 1.01 -0.92 -1.64 120.40 124.28 1hjd s VAL 49 Ca 0.10 1.05 0.19 0.00 0.00 0.00 0.00 61.98 63.32 1hjd s VAL 49 Cb -0.18 -3.67 -0.27 0.00 0.00 0.00 0.00 36.38 32.26 1hjd s VAL 49 CO -0.20 0.08 0.24 0.49 0.00 0.00 0.00 175.10 175.71 1hjd n PHE 50 N 4.03 0.06 -3.70 5.22 3.01 0.23 0.13 117.46 126.44 1hjd n PHE 50 Ca 0.11 0.02 -0.06 0.00 1.01 0.00 0.00 57.45 58.53 1hjd n PHE 50 Cb 0.43 -0.85 -0.02 0.00 -0.01 0.00 0.00 39.48 39.04 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1hjd s SER 51 N -5.20 -0.28 -0.09 4.37 1.04 -0.56 -3.88 113.70 109.10 1hjd s SER 51 Ca -0.09 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 1hjd s SER 51 Cb 0.09 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1hjd s SER 51 CO 0.85 -0.99 0.05 -1.59 0.98 0.00 0.00 173.24 172.54 1hjd s LYS 52 N -3.50 0.24 -0.53 4.02 -2.85 -1.25 -0.52 119.74 115.35 1hjd s LYS 52 Ca 0.09 0.12 -0.22 0.00 -1.00 0.00 0.00 55.97 54.96 1hjd s LYS 52 Cb -0.03 -1.10 0.05 0.00 -2.06 0.00 0.00 37.83 34.70 1hjd s LYS 52 CO -0.00 -0.43 0.81 -1.17 0.10 0.00 0.00 175.35 174.66 1hjd s LEU 53 N 2.07 4.46 0.00 2.77 0.20 -1.26 -3.15 118.68 123.77 1hjd s LEU 53 Ca 0.04 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.27 1hjd s LEU 53 Cb -0.13 -2.67 0.00 0.00 -0.43 0.00 0.00 46.19 42.96 1hjd s LEU 53 CO -0.05 -1.09 0.00 2.29 -0.29 0.00 0.00 176.35 177.20 1hjd n LYS 54 N 6.94 2.65 -2.15 1.98 2.85 -1.19 -1.90 118.16 127.34 1hjd n LYS 54 Ca -0.02 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.23 1hjd n LYS 54 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1hjd n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hjd n GLY 55 N 5.00 -0.84 2.63 2.58 0.00 -1.26 -3.76 105.19 109.54 1hjd n GLY 55 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 1hjd n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjd n ARG 56 N -0.89 -1.38 -0.27 1.61 5.12 -1.26 -4.68 116.66 114.91 1hjd n ARG 56 Ca 0.03 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1hjd n ARG 56 Cb 0.36 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 57 N -0.40 0.03 0.31 -0.13 0.00 -1.25 -4.90 105.19 98.86 1hjd n GLY 57 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.07 1hjd n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hjd h ARG 58 N 0.00 0.00 0.00 1.61 1.12 -1.56 -0.80 114.38 114.75 1hjd h ARG 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1hjd h ARG 58 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1hjd h ARG 58 CO 0.00 0.00 0.00 1.37 -3.11 0.00 0.00 179.97 178.23 1hjd h LEU 59 N 0.00 0.00 -7.40 3.80 8.10 -1.91 -3.33 115.31 114.57 1hjd h LEU 59 Ca 0.03 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.37 1hjd h LEU 59 Cb 0.17 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.98 1hjd h LEU 59 CO -0.00 0.00 -0.58 0.12 -4.11 0.00 0.00 178.44 173.87 1hjd s PHE 60 N -3.53 3.23 0.69 0.17 5.36 -0.30 -2.27 117.98 121.32 1hjd s PHE 60 Ca -0.01 -3.11 -0.10 0.00 -0.96 0.00 0.00 56.93 52.75 1hjd s PHE 60 Cb 0.07 -2.88 0.15 0.00 -0.34 0.00 0.00 43.02 40.03 1hjd s PHE 60 CO 0.25 -0.75 0.94 0.91 -1.46 0.00 0.00 175.22 175.11 1hjd n TRP 61 N 3.13 -3.78 -3.85 10.12 7.02 0.52 -3.99 117.44 126.61 1hjd n TRP 61 Ca 0.06 -0.98 -0.24 0.00 -1.02 0.00 0.00 57.50 55.32 1hjd n TRP 61 Cb 0.33 -0.72 -0.17 0.00 -2.42 0.00 0.00 31.31 28.33 1hjd n TRP 61 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1hjd s GLY 62 N -5.01 0.57 0.00 6.99 0.00 0.32 -0.85 107.32 109.34 1hjd s GLY 62 Ca 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1hjd s GLY 62 CO 0.38 0.98 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1hjd n GLY 63 N 4.97 3.61 3.52 0.20 0.00 0.02 -0.60 105.19 116.93 1hjd n GLY 63 Ca -0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1hjd n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjd s SER 64 N 1.82 -0.73 0.45 1.61 1.04 -0.65 -0.27 113.70 116.97 1hjd s SER 64 Ca 0.00 1.29 -0.21 0.00 0.48 0.00 0.00 55.95 57.50 1hjd s SER 64 Cb 0.00 1.23 -0.09 0.00 0.10 0.00 0.00 66.02 67.26 1hjd s SER 64 CO 0.00 -0.22 1.02 0.68 0.98 0.00 0.00 173.24 175.70 1hjd s VAL 65 N 0.93 3.92 0.38 5.02 -7.23 -1.26 0.12 120.40 122.29 1hjd s VAL 65 Ca -0.05 1.26 -0.27 0.00 -1.81 0.00 0.00 61.98 61.11 1hjd s VAL 65 Cb -0.05 -3.54 -0.11 0.00 0.56 0.00 0.00 36.38 33.24 1hjd s VAL 65 CO -0.08 -0.20 1.25 0.00 -0.31 0.00 0.00 175.10 175.76 1hjd n GLN 66 N -0.69 1.96 -3.23 4.82 10.64 0.19 -4.84 117.38 126.23 1hjd n GLN 66 Ca 0.08 0.69 -0.22 0.00 -1.83 0.00 0.00 57.00 55.72 1hjd n GLN 66 Cb 0.52 -2.32 -0.07 0.00 -0.86 0.00 0.00 30.24 27.51 1hjd n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hjd n GLY 67 N 0.83 1.72 0.24 2.61 0.00 -1.26 -4.91 105.19 104.43 1hjd n GLY 67 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1hjd n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hjd n ASP 68 N 2.59 2.99 -4.84 1.61 9.92 -1.26 -4.92 116.55 122.63 1hjd n ASP 68 Ca 0.26 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.19 1hjd n ASP 68 Cb 0.51 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.93 1hjd n ASP 68 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1hjd s TYR 69 N -1.98 3.45 0.39 1.24 1.51 -1.26 -4.92 117.35 115.77 1hjd s TYR 69 Ca 0.00 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1hjd s TYR 69 Cb 0.00 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 1hjd s TYR 69 CO 0.00 0.17 0.00 0.66 -1.11 0.00 0.00 175.55 175.27 1hjd n TYR 70 N -0.07 -3.69 -2.32 2.71 4.02 -1.26 -4.69 117.16 111.87 1hjd n TYR 70 Ca 0.02 1.87 -0.42 0.00 -0.01 0.00 0.00 57.90 59.36 1hjd n TYR 70 Cb 0.53 -3.35 -0.03 0.00 -0.02 0.00 0.00 39.34 36.47 1hjd n TYR 70 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1hjd s GLY 71 N -7.20 2.17 0.00 2.72 0.00 -1.26 -4.88 107.32 98.87 1hjd s GLY 71 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.64 1hjd s GLY 71 CO 0.00 2.22 0.00 1.34 0.00 0.00 0.00 173.10 176.66 1hjd n ASP 72 N 4.24 0.00 -4.76 1.64 2.03 -1.26 -5.09 116.55 113.34 1hjd n ASP 72 Ca 0.10 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.03 1hjd n ASP 72 Cb 0.45 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1hjd n ASP 72 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1hjd s LEU 73 N 0.00 4.49 -0.42 -2.67 2.34 -1.26 -4.40 118.68 116.76 1hjd s LEU 73 Ca 0.00 1.98 -0.15 0.00 0.06 0.00 0.00 54.13 56.02 1hjd s LEU 73 Cb 0.00 -3.79 0.02 0.00 -0.56 0.00 0.00 46.19 41.86 1hjd s LEU 73 CO 0.00 -0.02 0.56 0.00 -1.06 0.00 0.00 176.35 175.82 1hjd n ALA 74 N 1.01 -3.05 -0.98 1.48 0.00 -1.26 -4.97 120.51 112.74 1hjd n ALA 74 Ca 0.00 1.14 -0.30 0.00 0.00 0.00 0.00 53.44 54.27 1hjd n ALA 74 Cb 0.48 -3.61 0.15 0.00 0.00 0.00 0.00 19.45 16.47 1hjd n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjd s ALA 75 N -2.54 1.45 -0.16 0.00 0.00 -1.26 -5.04 121.76 114.22 1hjd s ALA 75 Ca 0.23 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1hjd s ALA 75 Cb -0.06 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1hjd s ALA 75 CO 0.77 -2.52 -0.21 0.50 0.00 0.00 0.00 175.76 174.30 1hjd s ARG 76 N -4.78 3.02 0.05 0.00 3.52 -1.26 -5.10 118.95 114.41 1hjd s ARG 76 Ca 0.64 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 55.10 1hjd s ARG 76 Cb -0.20 -2.50 -0.07 0.00 -1.56 0.00 0.00 34.95 30.62 1hjd s ARG 76 CO 0.58 -0.09 1.44 -0.51 -0.81 0.00 0.00 175.30 175.91 1hjd s LEU 77 N 1.00 4.34 0.46 -0.88 1.02 -1.26 -4.69 118.68 118.67 1hjd s LEU 77 Ca -0.02 2.25 0.03 0.00 0.02 0.00 0.00 54.13 56.41 1hjd s LEU 77 Cb -0.15 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 1hjd s LEU 77 CO -0.06 -0.73 0.02 -0.83 0.02 0.00 0.00 176.35 174.77 1hjd s GLY 78 N 1.72 2.80 -0.13 -3.19 0.00 0.63 -4.93 107.32 104.21 1hjd s GLY 78 Ca 0.66 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1hjd s GLY 78 CO 0.29 -2.11 -0.15 -0.19 0.00 0.00 0.00 173.10 170.93 1hjd s TYR 79 N -2.90 2.76 0.10 1.90 2.02 -1.26 -0.80 117.35 119.18 1hjd s TYR 79 Ca 0.17 -0.83 -0.24 0.00 -0.37 0.00 0.00 57.07 55.80 1hjd s TYR 79 Cb 0.04 -1.84 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 1hjd s TYR 79 CO 0.09 -0.32 0.59 -0.59 -1.57 0.00 0.00 175.55 173.75 1hjd s PHE 80 N 0.49 -0.53 0.26 2.71 -0.12 -0.03 -4.85 117.98 115.92 1hjd s PHE 80 Ca -0.11 0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 56.96 1hjd s PHE 80 Cb -0.16 0.48 -0.10 0.00 -0.63 0.00 0.00 43.02 42.61 1hjd s PHE 80 CO 0.05 -0.76 1.40 -1.25 -0.05 0.00 0.00 175.22 174.60 1hjd s PRO 81 N -3.07 4.29 0.28 1.99 0.04 -0.96 -0.35 135.00 137.22 1hjd s PRO 81 Ca -0.02 2.27 0.08 0.00 0.04 0.00 0.00 61.00 63.37 1hjd s PRO 81 Cb -0.01 -3.11 0.38 0.00 0.04 0.00 0.00 34.50 31.81 1hjd s PRO 81 CO -0.07 -0.36 1.63 0.66 0.04 0.00 0.00 177.00 178.91 1hjd h SER 82 N 4.67 0.11 -0.64 6.66 4.64 -1.84 -3.07 113.55 124.08 1hjd h SER 82 Ca -0.47 -0.06 0.18 0.00 -0.47 0.00 0.00 61.79 60.98 1hjd h SER 82 Cb 1.22 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1hjd h SER 82 CO 0.75 0.65 0.46 0.77 -0.87 0.00 0.00 176.83 178.59 1hjd h SER 83 N 0.07 0.01 0.62 4.97 4.64 -1.92 0.94 113.55 122.88 1hjd h SER 83 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1hjd h SER 83 Cb 1.01 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1hjd h SER 83 CO 0.08 0.01 -0.57 -0.29 -0.87 0.00 0.00 176.83 175.19 1hjd h ILE 84 N 0.01 1.36 -2.61 0.95 6.09 -1.93 -3.45 117.51 117.93 1hjd h ILE 84 Ca 0.31 -1.97 -0.57 0.00 -1.37 0.00 0.00 64.86 61.26 1hjd h ILE 84 Cb 1.21 2.07 -0.09 0.00 0.47 0.00 0.00 36.82 40.49 1hjd h ILE 84 CO -0.01 0.55 -0.61 0.68 -3.07 0.00 0.00 178.15 175.70 1hjd s VAL 85 N -3.67 4.03 -0.29 2.19 -7.23 0.32 0.10 120.40 115.85 1hjd s VAL 85 Ca -0.01 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1hjd s VAL 85 Cb 0.13 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 34.02 1hjd s VAL 85 CO 0.75 -0.19 0.02 -0.60 -0.31 0.00 0.00 175.10 174.77 1hjd s ARG 86 N -3.26 2.71 -0.04 4.82 3.52 0.41 -4.79 118.95 122.33 1hjd s ARG 86 Ca 0.30 -1.09 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1hjd s ARG 86 Cb -0.09 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1hjd s ARG 86 CO 0.21 -0.53 1.42 -1.83 -0.81 0.00 0.00 175.30 173.76 1hjd s GLU 87 N 1.35 4.26 -0.13 5.12 -1.05 -1.26 -1.49 118.70 125.50 1hjd s GLU 87 Ca -0.01 1.96 -0.06 0.00 -0.15 0.00 0.00 54.97 56.70 1hjd s GLU 87 Cb -0.18 -3.67 -0.06 0.00 -0.44 0.00 0.00 34.13 29.78 1hjd s GLU 87 CO -0.01 -0.64 -0.16 -3.47 0.95 0.00 0.00 175.26 171.93 1hjd n ASP 88 N 5.87 1.00 -4.84 0.83 -0.08 -0.68 -4.96 116.55 113.68 1hjd n ASP 88 Ca 0.14 0.14 -0.30 0.00 -1.51 0.00 0.00 54.79 53.26 1hjd n ASP 88 Cb 0.44 -0.36 -0.05 0.00 2.34 0.00 0.00 41.12 43.48 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1hjd s GLN 89 N -2.23 3.14 0.03 -0.67 2.00 -1.20 -4.99 119.66 115.73 1hjd s GLN 89 Ca -0.17 -0.59 0.01 0.00 -2.00 0.00 0.00 55.36 52.60 1hjd s GLN 89 Cb 0.07 -2.86 -0.02 0.00 0.80 0.00 0.00 33.01 30.99 1hjd s GLN 89 CO 0.22 0.58 -0.05 0.95 -0.50 0.00 0.00 175.29 176.49 1hjd s THR 90 N -1.47 0.31 0.00 -0.34 -4.23 -1.26 0.70 115.64 109.35 1hjd s THR 90 Ca 0.32 -0.94 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1hjd s THR 90 Cb -0.12 -0.41 0.13 0.00 1.34 0.00 0.00 72.50 73.44 1hjd s THR 90 CO 0.25 -0.41 0.98 -0.11 -0.54 0.00 0.00 174.62 174.79 1hjd n LEU 91 N 1.62 -0.15 -4.48 4.79 7.94 -1.11 -4.91 117.00 120.70 1hjd n LEU 91 Ca -0.23 -1.77 -0.44 0.00 -1.11 0.00 0.00 56.01 52.46 1hjd n LEU 91 Cb 0.55 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.42 1hjd n LEU 91 CO 0.21 1.01 1.97 0.29 -1.11 0.00 0.00 177.39 179.76 1hjd n LYS 92 N 0.16 0.75 -0.08 1.96 5.02 0.88 -4.74 118.16 122.10 1hjd n LYS 92 Ca -0.11 0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 1hjd n LYS 92 Cb 0.81 -2.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.25 1hjd n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1hjd h PRO 93 N 14.19 0.04 -4.96 1.97 0.13 -1.82 -3.49 132.00 138.06 1hjd h PRO 93 Ca -0.20 -0.08 -0.33 0.00 -0.87 0.00 0.00 66.00 64.53 1hjd h PRO 93 Cb 1.31 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 1hjd h PRO 93 CO 1.16 1.04 -0.68 0.20 -0.23 0.00 0.00 178.00 179.49 1hjd s GLY 94 N -4.92 1.27 -0.36 1.56 0.00 -1.26 -4.89 107.32 98.72 1hjd s GLY 94 Ca -0.27 -1.61 0.13 0.00 0.00 0.00 0.00 44.72 42.97 1hjd s GLY 94 CO 0.63 -1.59 1.19 0.58 0.00 0.00 0.00 173.10 173.91 1hjd n LYS 95 N -0.28 1.21 -3.15 2.90 2.85 -0.96 -3.76 118.16 116.98 1hjd n LYS 95 Ca -0.07 -2.43 -0.39 0.00 -1.05 0.00 0.00 58.31 54.36 1hjd n LYS 95 Cb 0.63 -0.56 -0.06 0.00 -0.65 0.00 0.00 35.03 34.39 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hjd s VAL 96 N -1.30 4.64 0.49 0.58 1.01 0.94 -4.68 120.40 122.08 1hjd s VAL 96 Ca 0.24 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.43 1hjd s VAL 96 Cb 0.42 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1hjd s VAL 96 CO -0.04 0.51 1.08 -0.62 0.00 0.00 0.00 175.10 176.03 1hjd s ASP 97 N -0.91 6.18 -0.21 3.32 -1.08 -1.26 0.12 116.67 122.83 1hjd s ASP 97 Ca 0.32 2.04 -0.04 0.00 -0.52 0.00 0.00 52.55 54.36 1hjd s ASP 97 Cb -0.21 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 38.78 1hjd s ASP 97 CO 0.21 -0.90 0.22 -0.69 0.52 0.00 0.00 175.17 174.54 1hjd s VAL 98 N -1.85 -0.32 0.31 1.11 1.01 0.47 -4.83 120.40 116.29 1hjd s VAL 98 Ca 0.68 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1hjd s VAL 98 Cb -0.20 -0.70 -0.11 0.00 0.00 0.00 0.00 36.38 35.37 1hjd s VAL 98 CO 0.24 -0.23 1.55 -0.75 0.00 0.00 0.00 175.10 175.91 1hjd s LYS 99 N 2.32 4.13 0.10 2.72 2.36 -1.26 -1.05 119.74 129.05 1hjd s LYS 99 Ca 0.07 2.56 -0.15 0.00 -2.55 0.00 0.00 55.97 55.90 1hjd s LYS 99 Cb -0.16 -3.01 -0.06 0.00 -1.05 0.00 0.00 37.83 33.54 1hjd s LYS 99 CO -0.13 -0.59 0.50 0.99 1.55 0.00 0.00 175.35 177.67 1hjd s THR 100 N -0.31 4.90 -0.13 3.43 2.01 0.71 -4.90 115.64 121.36 1hjd s THR 100 Ca 0.60 0.84 0.08 0.00 0.31 0.00 0.00 61.69 63.52 1hjd s THR 100 Cb -0.47 -3.75 0.20 0.00 0.01 0.00 0.00 72.50 68.49 1hjd s THR 100 CO 0.52 0.37 1.20 0.47 -0.69 0.00 0.00 174.62 176.49 1hjd n ASP 101 N 1.17 -0.85 0.00 3.53 9.92 -1.26 -4.88 116.55 124.18 1hjd n ASP 101 Ca -0.08 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1hjd n ASP 101 Cb 0.52 0.34 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 1hjd n ASP 101 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1hjd n LYS 102 N -0.50 0.00 0.08 -1.24 4.81 -1.26 -4.95 118.16 115.09 1hjd n LYS 102 Ca -0.20 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.45 1hjd n LYS 102 Cb 0.80 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.57 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1hjd h TRP 103 N 0.00 0.00 -1.39 5.64 4.06 -1.98 -0.89 115.95 121.39 1hjd h TRP 103 Ca 0.00 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.32 1hjd h TRP 103 Cb 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 27.92 1hjd h TRP 103 CO 0.00 0.00 0.79 -3.47 -3.56 0.00 0.00 178.44 172.20 1hjd n ASP 104 N -3.60 7.19 -4.81 -3.49 2.03 -1.26 -4.99 116.55 107.62 1hjd n ASP 104 Ca 0.08 -3.58 -0.32 0.00 0.52 0.00 0.00 54.79 51.49 1hjd n ASP 104 Cb 0.70 -1.09 0.03 0.00 -0.72 0.00 0.00 41.12 40.03 1hjd n ASP 104 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1hjd s PHE 105 N -3.18 3.02 0.46 -0.67 2.19 -0.34 -5.01 117.98 114.45 1hjd s PHE 105 Ca 0.54 1.48 -0.23 0.00 0.33 0.00 0.00 56.93 59.05 1hjd s PHE 105 Cb 0.42 -2.96 -0.07 0.00 -1.31 0.00 0.00 43.02 39.09 1hjd s PHE 105 CO -0.24 -1.18 1.17 0.71 1.83 0.00 0.00 175.22 177.51 1hjd s TYR 106 N -2.68 2.88 -0.66 10.12 1.51 -1.26 -4.88 117.35 122.38 1hjd s TYR 106 Ca 0.61 1.54 -0.26 0.00 -1.01 0.00 0.00 57.07 57.95 1hjd s TYR 106 Cb -0.15 -3.38 -0.10 0.00 -0.11 0.00 0.00 41.96 38.22 1hjd s TYR 106 CO 0.44 -1.50 2.36 0.00 -1.11 0.00 0.00 175.55 175.74